BCN-HS-PEG2-VA-PABC-SG3199

Chemical Information
| CAS Number | 2126805-05-6 |
| PubChem CID | 139326368 |
| IUPAC Name | [4-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylsulfamoylamino]ethoxy]ethoxy]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate |
| Molecular Formula | C66H83N9O18S |
| Molecular Weight | 1322.5 |
| XLogP | 5.4 |
| Topological Polar Surface Area | 338 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 32 |
| Heavy Atom Count | 94 |
| Formal Charge | 0 |
| Complexity | 2920 |
| Property | Value |
|---|---|
| Molecular Weight | 1322.5 |
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 32 |
| Exact Mass | 1321.55767801 |
| Monoisotopic Mass | 1321.55767801 |
| Topological Polar Surface Area | 338 Ų |
| Heavy Atom Count | 94 |
| Formal Charge | 0 |
| Complexity | 2920 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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